Diethyl 4-oxopyran-2,6-dicarboxylate
TL;DR: Diethyl 4-oxopyran-2,6-dicarboxylate (CAS 725-92-8) is a chemical compound with molecular formula C11H12O6 and molecular weight 240.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-oxopyran-2,6-dicarboxylate
Also Known As: Diethyl chelidonate, diethyl 4-oxopyran-2,6-dicarboxylate, starbld0025226, diethyl 4-oxo-4H-pyran-2,6-dicarboxylate, ChemDiv2_001123
| Molecular Formula | C11H12O6 |
|---|---|
| Molecular Weight | 240.06 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 240.06339 |
| Heavy Atoms | 17 |
| Complexity | 368.0 |
Chemical Identifiers
| CAS Number | 725-92-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=O)C=C(O1)C(=O)OCC |
| InChIKey | GVZFALOJMSTSJL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Diethyl 4-oxopyran-2,6-dicarboxylate (CAS 725-92-8), with molecular formula C11H12O6 and molecular weight 240.06 g/mol. IUPAC: diethyl 4-oxopyran-2,6-dicarboxylate.
Chemical Property Profile of Diethyl 4-oxopyran-2,6-dicarboxylate
Property Insights of Diethyl 4-oxopyran-2,6-dicarboxylate
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 4-oxopyran-2,6-dicarboxylate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 4-oxopyran-2,6-dicarboxylate. Following Lipinski's Rule of Five, Diethyl 4-oxopyran-2,6-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Diethyl 4-oxopyran-2,6-dicarboxylate?
The CAS number of Diethyl 4-oxopyran-2,6-dicarboxylate is 725-92-8.
What is the molecular formula of Diethyl 4-oxopyran-2,6-dicarboxylate?
The molecular formula of Diethyl 4-oxopyran-2,6-dicarboxylate is C11H12O6.
What is the molecular weight of Diethyl 4-oxopyran-2,6-dicarboxylate?
The molecular weight of Diethyl 4-oxopyran-2,6-dicarboxylate is 240.06 g/mol.
Where can I buy Diethyl 4-oxopyran-2,6-dicarboxylate?
You can request a quote for Diethyl 4-oxopyran-2,6-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4-oxopyran-2,6-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4-oxopyran-2,6-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.